CID 70701199

1228994-66-8

Structural Information

Molecular Formula
C7H11N3
SMILES
CN1C2=C(CCNC2)C=N1
InChI
InChI=1S/C7H11N3/c1-10-7-5-8-3-2-6(7)4-9-10/h4,8H,2-3,5H2,1H3
InChIKey
MHVQVYBLIGHWMX-UHFFFAOYSA-N
Compound name
1-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

137.09529 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.10257 128.7
[M+Na]+ 160.08451 140.4
[M+NH4]+ 155.12911 137.3
[M+K]+ 176.05845 136.1
[M-H]- 136.08801 129.0
[M+Na-2H]- 158.06996 133.5
[M]+ 137.09474 130.2
[M]- 137.09584 130.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe